3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine

C12H11ClN2OS2 — CID 141063362

IUPAC3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(Cl)s2)N(Cc2cccs2)O1
InChIInChI=1S/C12H11ClN2OS2/c13-11-4-3-10(18-11)9-6-12(14)16-15(9)7-8-2-1-5-17-8/h1-6,9H,7,14H2
InChIKeyWFISFNLPWHGDNF-UHFFFAOYSA-N
MW298.82 g/mol
LogP3.75
Rot. Bonds3

About 3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine

3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine (PubChem CID 141063362) has the molecular formula C12H11ClN2OS2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine
PubChem CID141063362
Molecular FormulaC12H11ClN2OS2
Molecular Weight298.82 g/mol
Exact Mass298.00
IUPAC Name3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine
SMILESNC1=CC(c2ccc(Cl)s2)N(Cc2cccs2)O1
InChIInChI=1S/C12H11ClN2OS2/c13-11-4-3-10(18-11)9-6-12(14)16-15(9)7-8-2-1-5-17-8/h1-6,9H,7,14H2
InChIKeyWFISFNLPWHGDNF-UHFFFAOYSA-N
XLogP3.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine (CID 141063362) is 3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine is NC1=CC(c2ccc(Cl)s2)N(Cc2cccs2)O1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine?
The InChIKey is WFISFNLPWHGDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS2/c13-11-4-3-10(18-11)9-6-12(14)16-15(9)7-8-2-1-5-17-8/h1-6,9H,7,14H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine?
3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine has a molecular weight of 298.82 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-(thiophen-2-ylmethyl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).